N-(3,4-dimethylphenyl)-4-nitrobenzenesulfonamide

Base Information

• Chemical Name: N-(3,4-dimethylphenyl)-4-nitrobenzenesulfonamide
• CAS No.: 16937-24-9
• Molecular Formula: C₁₄H₁₄N₂O₄S
• Molecular Weight: 306.342
• DSSTox Substance ID: DTXSID001238676
• Mol file: 16937-24-9.mol

Synonyms:N-(3,4-dimethylphenyl)-4-nitrobenzenesulfonamide;16937-24-9;Oprea1_589106;Oprea1_635741;SCHEMBL23093470;DTXSID001238676;MFCD01212698;STK011641;AKOS001649014;SR-01000469826;SR-01000469826-1;Benzenesulfonamide, N-(3,4-dimethylphenyl)-4-nitro-

Chemical Property of N-(3,4-dimethylphenyl)-4-nitrobenzenesulfonamide

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 306.06742811
• Heavy Atom Count: 21
• Complexity: 460

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Technology Process of N-(3,4-dimethylphenyl)-4-nitrobenzenesulfonamide

There total 2 articles about N-(3,4-dimethylphenyl)-4-nitrobenzenesulfonamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 87.0%

4-amino-o-xylene (95-64-7) + 4-Nitrobenzenesulfonyl chloride (98-74-8) → N-(3,4-dimethylphenyl)-4-nitrobenzenesulfonamide (16937-24-9)

Guidance literature:

With pyridine; In dichloromethane; at 20 ℃; Inert atmosphere;

DOI:10.1021/acs.jmedchem.0c00932

Reference yield:

→ N-(3,4-dimethylphenyl)-4-nitrobenzenesulfonamide (16937-24-9)

Guidance literature:

4-Nitro-benzolsulfochlorid u. 3.4-Xylidin;

Reference yield: 87.6%

N-(3,4-dimethylphenyl)-4-nitrobenzenesulfonamide (16937-24-9) → 4-amino-N-(3,4-dimethylphenyl)benzenesulfonamide (20555-67-3)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; under 760.051 Torr;

DOI:10.1021/acs.jmedchem.0c00932

upstream raw materials:

4-amino-o-xylene

4-Nitrobenzenesulfonyl chloride

Downstream raw materials:

4-amino-N-(3,4-dimethylphenyl)benzenesulfonamide